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Home > Encyclopedia > [1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate

[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate

[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate structure

[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate 

structure
  • CAS No:

    133806-60-7

  • Formula:

    C23H26O7

  • Chemical Name:

    [1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate

  • Synonyms:

    5-1''-acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione;purpactin B;Purpactin B;133806-60-7;1-[2'-(hydroxymethyl)-4-methoxy-4'-methyl-3,6'-dioxo-3h-spiro[1-benzofuran-2,1'-cyclohexa[2,4]dien]-5-yl]-3-methylbutyl acetate;SCHEMBL7758611;DTXSID40928279;FO-608B;[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate;5-1''-Acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione

[1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate Basic Attributes

414.4 g/mol

414.16785316 g/mol

Characteristics

99.1 Ų

Drug Information

5-1''-acetoxy-6'-hydroxymethyl-4-methoxy-4'-methyl-3''-methylbutyl-spiro(benzofuran-2,1'-cyclohexa-3',5'-diene)-2',3(2H)-dione

Computed Properties

Molecular Weight:414.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:414.16785316
Monoisotopic Mass:414.16785316
Topological Polar Surface Area:99.1
Heavy Atom Count:30
Complexity:780
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [1-[1'-(hydroxymethyl)-4-methoxy-3'-methyl-3,5'-dioxospiro[1-benzofuran-2,6'-cyclohexa-1,3-diene]-5-yl]-3-methylbutyl] acetate

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